✦ LIBER ✦

Calculations in quantum chemistry

✍ Scribed by Yu. A. Kruglyak; D. R. Whitman

Publisher: SP MAIK Nauka/Interperiodica
Year: 1962
Tongue: English
Weight: 819 KB
Volume: 3
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00753241

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

✍ Yu. A. Kruglyak; D. R. Whitman 📂 Article 📅 1964 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 385 KB

Quantum-Mechanical Energy Calculations i

Quantum-Mechanical Energy Calculations in Chemistry

✍ Libuše Šroubková; Rudolf Zahradník 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 German ⚖ 111 KB

Methods of calculation used in quantum c

Methods of calculation used in quantum chemistry

✍ Yu. A. Kruglyak 📂 Article 📅 1965 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 229 KB

Quantum chemistry of quantum size-effect

Quantum chemistry of quantum size-effects in semiconductors: Small clusters electronic structure calculations

✍ V. S. Gurin 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 141 KB 👁 2 views

Ab initio RHF SCF calculations are used for some small clusters M X , x y where M s Cd, Ag; X s S, I; and x, y F 7. Variation of electronic structure with size for some clusters with the bulklike tetrahedral coordination and with the lower symmetry allows one to predict their possible geometries wh

An application of schoonschip for algebr

An application of schoonschip for algebraic calculations in quantum chemistry

✍ P.-O. Nerbrant 📂 Article 📅 1978 🏛 Elsevier Science 🌐 English ⚖ 286 KB

The program SCHOONSCHIP is used to evaluate fermion expectation values in quantum chemistry. Some remarks are made from experiences with the program.

Quantum chemistry by quantum monte carlo

Quantum chemistry by quantum monte carlo: Beyond ground-state energy calculations

✍ P. J. Reynolds; R. N. Barnett; B. L. Hammond; R. M. Grimes; W. A. Lester Jr 📂 Article 📅 1986 🏛 John Wiley and Sons 🌐 English ⚖ 400 KB